文章摘要
吴迪,李晨,史载锋,张小朋,林强,吴兴惠.稀土金属掺杂Ti02 光催化剂及活性预测的研究进展[J].海南师范大学学报自科版,2017,30(3):317-323
稀土金属掺杂Ti02 光催化剂及活性预测的研究进展
Research Progress of Rare Earth Doped Ti02 Photocatalysts and Predicting Photocatalytic Activity
投稿时间:2017-06-13  
DOI:10.12051/j.issn.1674-4942.2017.03.013
中文关键词: 稀土金属  二氧化钦  光催化  第一性原理  模式识别法
英文关键词: rare earth  Ti02  photocatalyst  first - principle method  pattern recognition
基金项目:
作者单位
吴迪 海南省水环境污染治理与资源化重点实验室海南师范大学化学与化工学院海南海571158 
李晨 海南省水环境污染治理与资源化重点实验室海南师范大学化学与化工学院海南海571158 
史载锋 海南省水环境污染治理与资源化重点实验室海南师范大学化学与化工学院海南海571158 
张小朋 海南省水环境污染治理与资源化重点实验室海南师范大学化学与化工学院海南海571158 
林强 海南省水环境污染治理与资源化重点实验室海南师范大学化学与化工学院海南海571158 
吴兴惠 1.海南省水环境污染治理与资源化重点实验室海南师范大学化学与化工学院海南海571158
2. 海南师范大学信息科学与技术学院 海南海口571158 
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中文摘要:
      对近年来稀土金属掺杂Ti02 光催化剂的制备和光催化机理进行了综述. 以Ti02 为例,光催化反应只发生在当高能量紫外光照射在催化剂上.稀土金属作为掺杂剂展现了极好 的潜能,不仅可以使吸收红移,还能够提高Ti02的光催化活性.制备的方法包括溶胶凝胶法、 水热法、模板法、阳极氧化法、静电自组装法和沉淀法等.文章重点强调了羊稀土掺杂对Ti02 的晶型、粒径、光学性质、比表面积和光催化活性的影响,比较了稀土金属共掺杂与羊掺杂的不 同.分析了基于第一性原理的密度泛函理论对其光催化活性的研究,讨论了晶格参数、能带结 构、电子结构、几何结构、态密度以及光学性质等理论计算.最后提出了通过模式识别预测稀土 掺杂Ti02的光催化活性的可行性.
英文摘要:
      In the article , researches on preparation of rare earth doped TiO2 and the photocatalytic mechanismare are reviewed. In the case of Ti02 , photocatalytic reaction can only happen if high energy UV light is incident on the catalyst. Rare earth metals have displayed superb potential as dopants not only in red - shifting the absorption but also in enhancing the photocatalytic activity of Ti02. This has included sol- gel method , hydrothermal method , template method , anodic oxidation method , electrostatic self - assembly method and precipitation method ,etc. There is an emphasis on single rare earth dopants and related influences on the phase , particle size , optical property , specific surface area and photocatalytic activity of Ti02. Then a short discussion on co - doping with rare earth metals is compared with singly doped Ti02. Furthermore , studies on its photocatalytic activity with Density Functional Theorγ based on First - principle method are analyzed. Theoretical calculation , such as lattice parameter , band structure , electronic structure , geometric structure , state densityas well as optical properties are also discussed. Lastly , feasibility of predicting photocatalytic activity of rare earth doped Ti02 with pattern recognition is suggested.
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